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CAS 6149-52-6 ETHYL CIS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE, 98 molecular structure lightbox
CAS RN: 6149-52-6

ETHYL CIS-2-HYDROXY-1-CYCLOHEXANECARBOXYLATE, 98

  • Product code: SSC-170394
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6149-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

6149-52-6 / ethyl 2-hydroxycyclohexane-1-carboxylate

Standard CAS: 6149-52-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6149-52-6
Multi CAS
Yes
Molecular Formula
C9H16O3
Molecular Weight
172.220000
Exact Mass
172.109944
InChI
InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKey
WOGRTPJVNNCUKN-SFYZADRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.6
TPSA
46.53

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.8
Consensus LogP
1.29
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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